CID 67961

Benzenamine, 4-chloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)N
InChI
InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey
CVINWVPRKDIGLL-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1194
Patents

195.00626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.013536 132.4
[M+Na]+ 217.995478 143.2
[M-H]- 193.998984 132.4
[M+NH4]+ 213.040083 152.7
[M+K]+ 233.969418 138.4
[M+H-H2O]+ 178.003520 125.9
[M+HCOO]- 240.004461 148.7
[M+CH3COO]- 254.020111 183.5
[M+Na-2H]- 215.980926 137.9
[M]+ 195.00571142 128.5
[M]- 195.00680858 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe